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332358-22-2 | N-(4-Acetyl-phenyl)-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS No: 332358-22-2 Catalog No: AG01F449 MDL No:
Product Description
Catalog Number:
AG01F449
Chemical Name:
N-(4-Acetyl-phenyl)-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS Number:
332358-22-2
Molecular Formula:
C17H14N4O3S
Molecular Weight:
354.3831
IUPAC Name:
N-(4-acetylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
InChI:
InChI=1S/C17H14N4O3S/c1-11(22)12-4-6-14(7-5-12)19-15(23)10-25-17-21-20-16(24-17)13-3-2-8-18-9-13/h2-9H,10H2,1H3,(H,19,23)
InChI Key:
DBHWGJTTZTZWQU-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc(o1)c1cccnc1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.384g/mol
Monoisotopic Mass:
354.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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